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5181-23-7 | (2Z)-3-phenyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS No: 5181-23-7 Catalog No: AG00IQ8F MDL No:MFCD02570803
Product Description
Catalog Number:
AG00IQ8F
Chemical Name:
(2Z)-3-phenyl-2-[(4H-1,2,4-triazol-4-yl)imino]-1,3-thiazolidin-4-one
CAS Number:
5181-23-7
Molecular Formula:
C11H9N5OS
Molecular Weight:
259.2871
MDL Number:
MFCD02570803
IUPAC Name:
(2Z)-3-phenyl-2-(1,2,4-triazol-4-ylimino)-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H9N5OS/c17-10-6-18-11(14-15-7-12-13-8-15)16(10)9-4-2-1-3-5-9/h1-5,7-8H,6H2/b14-11-
InChI Key:
UHNUBJCDTQZKAY-KAMYIIQDSA-N
SMILES:
O=C1CS/C(=N\n2cnnc2)/N1c1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
259.053g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.287g/mol
Monoisotopic Mass:
259.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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